4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide

C7H10ClN3O — CID 23359470

IUPAC4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(N)=O)c1Cl
InChIInChI=1S/C7H10ClN3O/c1-3-4-5(8)6(7(9)12)11(2)10-4/h3H2,1-2H3,(H2,9,12)
InChIKeyMIDWNRQXTXNCAL-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.73
Rot. Bonds2

About 4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide

4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 23359470) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID23359470
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(N)=O)c1Cl
InChIInChI=1S/C7H10ClN3O/c1-3-4-5(8)6(7(9)12)11(2)10-4/h3H2,1-2H3,(H2,9,12)
InChIKeyMIDWNRQXTXNCAL-UHFFFAOYSA-N
XLogP0.73
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide (CID 23359470) is 4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1nn(C)c(C(N)=O)c1Cl.
What is the InChIKey of 4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is MIDWNRQXTXNCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-3-4-5(8)6(7(9)12)11(2)10-4/h3H2,1-2H3,(H2,9,12).
What are the key properties of 4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide?
4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 187.63 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 23359470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).